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Garzia Trulli, M.; Claes, N.; Pype, J.; Bals, S.; Baert, K.; Terryn, H.; Sardella, E.; Favia, P.; Vanhulsel, A. |
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Title |
Deposition of aminosilane coatings on porous Al2O3microspheres by means of dielectric barrier discharges |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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Volume |
14 |
Issue |
14 |
Pages |
1600211 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
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Abstract |
Advances in the synthesis of porous microspheres and in their functionalization are increasing the interest in applications of alumina. This paper deals with coatings plasma deposited from 3-aminopropyltriethoxysilane by means of dielectric barrier discharges on alumina porous microspheres, shaped by a vibrational droplet coagulation technique. Aims of the work are the functionalization of the particles with active amino groups, as well as the evaluation of their surface coverage and of the penetration of the coatings into their pores. A multi-diagnostic approach was used for the chemical/morphological characterization of the particles. It was found that 5 min exposure to plasma discharges promotes the deposition of homogeneous coatings onto the microspheres and within their pores, down to 1 μm. |
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Wos |
000410773200003 |
Publication Date |
2017-01-05 |
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Series Issue |
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Edition |
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ISSN |
1612-8850 |
ISBN |
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Additional Links  |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.846 |
Times cited |
8 |
Open Access |
OpenAccess |
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Notes |
The technical assistance of the VITO staff (Materials Dpt.) is gratefully acknowledged, especially D. Havermans, E. Van Hoof, R. Kemps (SEM-EDX), and A. De Wilde (Hg Porosimetry). Drs. S. Mullens and G. Scheltjens are kindly acknowledged for constructive discussions. Strategic Initiative Materials in Flanders (SIM) is gratefully acknowledged for its financial support. This research was carried out in the framework of the SIM-TRAP program (Tools for rational processing of nano-particles: controlling and tailoring nanoparticle based or nanomodified particle based materials). N. Claes and S. Bals acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). (ROMEO:white; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; |
Approved |
Most recent IF: 2.846 |
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Call Number |
EMAT @ emat @ c:irua:139511UA @ admin @ c:irua:139511 |
Serial |
4342 |
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Author |
Van der Paal, J.; Verheyen, C.; Neyts, E.C.; Bogaerts, A. |
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Title |
Hampering Effect of Cholesterol on the Permeation of Reactive Oxygen Species through Phospholipids Bilayer: Possible Explanation for Plasma Cancer Selectivity |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
7 |
Issue |
7 |
Pages |
39526 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In recent years, the ability of cold atmospheric pressure plasmas (CAPS) to selectively induce cell death in cancer cells has been widely established. This selectivity has been assigned to the reactive oxygen and nitrogen species (RONS) created in CAPs. To provide new insights in the search for an explanation
for the observed selectivity, we calculate the transfer free energy of multiple ROS across membranes containing a varying amount of cholesterol. The cholesterol fraction is investigated as a selectivity parameter because membranes of cancer cells are known to contain lower fractions of cholesterol compared to healthy cells. We find that cholesterol has a significant effect on the permeation of
reactive species across a membrane. Indeed, depending on the specific reactive species, an increasing cholesterol fraction can lead to (i) an increase of the transfer free energy barrier height and width, (ii) the formation of a local free energy minimum in the center of the membrane and (iii) the creation of extra free energy barriers due to the bulky sterol rings. In the context of plasma oncology, these observations suggest that the increased ingress of RONS in cancer cells can be explained by the decreased cholesterol fraction of their cell membrane. |
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Wos |
000391306900001 |
Publication Date |
2017-01-06 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
27 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from the Fund for Scientific Research (FWO) Flanders, grant number 11U5416N. The calculations were performed in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. |
Approved |
Most recent IF: 4.259 |
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Call Number |
PLASMANT @ plasmant @ c:irua:139512 |
Serial |
4340 |
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Author |
Rodal-Cedeira, S.; Montes-García, V.; Polavarapu, L.; Solís, D.M.; Heidari, H.; La Porta, A.; Angiola, M.; Martucci, A.; Taboada, J.M.; Obelleiro, F.; Bals, S.; Pérez-Juste, J.; Pastoriza-Santos, I. |
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Title |
Plasmonic Au@Pd Nanorods with Boosted Refractive Index Susceptibility and SERS Efficiency: A Multifunctional Platform for Hydrogen Sensing and Monitoring of Catalytic Reactions |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
28 |
Issue |
28 |
Pages |
9169-9180 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Palladium nanoparticles (NPs) have received tremendous attention over the years due to their high catalytic activity for various chemical reactions. However, unlike other noble metal nanoparticles such as Au and Ag NPs, they exhibit poor plasmonic properties with broad extinction spectra and less scattering efficiency, and thus limiting their applications in the field of plasmonics. Therefore, it has been challenging to integrate tunable and strong plasmonic properties into catalytic Pd nanoparticles. Here we show that plasmonic Au@Pd nanorods (NRs) with relatively narrow and remarkably tunable optical responses in the NIR region can be obtained by directional growth of Pd on penta-twinned Au NR seeds. We found the presence of bromide ions facilitates the stabilization of facets for the directional growth of Pd shell to obtain Au@Pd nanorods (NR) with controlled length scales. Interestingly, it turns out the Au NR supported Pd NRs exhibit much narrow extinction compared to pure Pd NRs, which makes them suitable for plasmonic sensing applications. Moreover, these nanostructures display, to the best of our knowledge, one of the highest ensemble refractive index sensitivity values reported to date (1067 nm per refractive index unit, RIU). Additionally, we showed the application of such plasmonic Au@Pd NRs for localized surface plasmon resonance (LSPR)-based sensing of hydrogen both in solution as well as on substrate. Finally, we demonstrate the integration of excellent plasmonic properties in catalytic palladium enables the in situ monitoring of a reaction progress by surface-enhanced Raman scattering. We postulate the proposed approach to boost the plasmonic properties of Pd nanoparticles will ignite the design of complex shaped plasmonic Pd NPs to be used in various plasmonic applications such as sensing and in situ monitoring of various chemical reactions. |
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Wos |
000391080900036 |
Publication Date |
2016-12-27 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
0897-4756 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
80 |
Open Access |
OpenAccess |
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Notes |
Funding from Spanish Ministerio de Economía y Competitividad (Grants MAT2013-45168-R and MAT2016-77809-R) is gratefully acknowledge. A.L.P. and S.B. acknowledge support by the European Research Council through an ERC Starting Grant (#335078-COLOURATOMS). L. P. acknowledges the financial support from by the Alexander von Humboldt-Stiftung. V. M.-G. acknowledges the financial support from FPU scholarship from the Spanish MINECO. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ECAS_Sara |
Approved |
Most recent IF: 9.466 |
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Call Number |
EMAT @ emat @ c:irua:139513 |
Serial |
4344 |
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Author |
Shirazi, M.; Neyts, E.C.; Bogaerts, A. |
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Title |
DFT study of Ni-catalyzed plasma dry reforming of methane |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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Volume |
205 |
Issue |
205 |
Pages |
605-614 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
tWe investigated the plasma-assisted catalytic reactions for the production of value-added chemicalsfrom Ni-catalyzed plasma dry reforming of methane by means of density functional theory (DFT). Weinspected many activation barriers, from the early stage of adsorption of the major chemical fragmentsderived fromCH4andCO2molecules up to the formation of value-added chemicals at the surface, focusingon the formation of methanol, as well as the hydrogenation of C1and C2hydrocarbon fragments. Theactivation barrier calculations show that the presence of surface-bound H atoms and in some cases alsoremaining chemical fragments at the surface facilitates the formation of products. This implies that thehydrogenation of a chemical fragment on the hydrogenated crystalline surface is energetically favouredcompared to the simple hydrogenation of the chemical fragment at the bare Ni(111) surface. Indeed, thepresence of hydrogen modifies the electronic structure of the surface and the course of the reactions.We therefore conclude that surface-bound H atoms, and to some extent also the remaining chemicalfragments at the crystalline surface, induce the following effects: they facilitate associative desorption ofmethanol and ethane by increasing the rate of H-transfer to the adsorbed fragments while they impedehydrogenation of ethylene to ethane, thus promoting again the desorption of ethylene. Overall, they thusfacilitate the catalytic conversion of the formed fragments from CH4and CO2, into value-added chemicals.Finally, we believe that the retention of methane fragments, especially CH3, in the presence of surface-boundHatoms (as observed here for Ni) can be regarded as an identifier for the proper choice of a catalystfor the production of value-added chemicals. |
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Wos |
000393931000063 |
Publication Date |
2017-01-05 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0926-3373 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.446 |
Times cited |
26 |
Open Access |
OpenAccess |
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Notes |
Financial support from the Reactive Atmospheric Plasmaprocessing –eDucation network (RAPID), through the EU 7thFramework Programme (grant agreement no. 606889) is grate-fully acknowledged. The calculations were performed using theTuring HPC infrastructure at the CalcUA core facility of the Univer-siteit Antwerpen, a division of the Flemish Supercomputer CenterVSC, funded by the Hercules Foundation, the Flemish |
Approved |
Most recent IF: 9.446 |
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Call Number |
PLASMANT @ plasmant @ c:irua:139514 |
Serial |
4343 |
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Author |
Samaeeaghmiyoni, V.; Idrissi, H.; Groten, J.; Schwaiger, R.; Schryvers, D. |
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Title |
Quantitative in-situ TEM nanotensile testing of single crystal Ni facilitated by a new sample preparation approach |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Micron |
Abbreviated Journal |
Micron |
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Volume |
94 |
Issue |
94 |
Pages |
66-73 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Twin-jet electro-polishing and Focused Ion Beam (FIB) were combined to produce small size Nickel single crystal specimens for quantitative in-situ nanotensile experiments in the transmission electron microscope. The combination of these techniques allows producing samples with nearly defect-free zones in the centre in contrast to conventional FIB-prepared samples. Since TEM investigations can be performed on the electro-polished samples prior to in-situ TEM straining, specimens with desired crystallographic orientation and initial microstructure can be prepared. The present results reveal a dislocation nucleation controlled plasticity, in which small loops induced by FIB near the edges of the samples play a central role. |
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Wos |
000393247300008 |
Publication Date |
2016-12-21 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0968-4328 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.98 |
Times cited |
11 |
Open Access |
OpenAccess |
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Notes |
This research has been performed with the financial support of the Belgian Science Policy (Belspo) under the framework of the interuniversity attraction poles program, IAP7/21. Financial support from the Flemish (FWO) and German Research Foundation (DFG) through the European M-ERA.NET project “FaSS” (Fatigue Simulation near Surfaces) under the grant numbers GA.014.13N and SCHW855/5-1, respectively, is gratefully acknowledged. V. Samaeeaghmiyoni also acknowledges the FWO research project G012012N “Understanding nanocrystalline mechanical behaviour from structural investigations”. H. Idrissi is currently mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). |
Approved |
Most recent IF: 1.98 |
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Call Number |
EMAT @ emat @ c:irua:139515 |
Serial |
4341 |
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Author |
van Walsem, J.; Verbruggen, S.W.; Modde, B.; Lenaerts, S.; Denys, S. |
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Title |
CFD investigation of a multi-tube photocatalytic reactor in non-steady-state conditions |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
304 |
Issue |
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Pages |
808-816 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
A novel multi-tube photoreactor is presented with a high efficiency (over 90% conversion) toward the degradation of acetaldehyde in air under UV conditions with an incident intensity of 2.1 mW cm−2. A CFD model was developed to simulate the transient adsorption and photocatalytic degradation processes of acetaldehyde in this reactor design and to estimate the corresponding kinetic parameters through an optimization routine using the experimentally determined outlet concentration profiles. The CFD model takes into account the entire reactor geometry and all relevant flow parameters, in contrast to analytical methods that often oversimplify the physical and chemical process characteristics. Using CFD, we show that both adsorption and desorption rate constants increase by respectively one and two orders of magnitude when the UV light is switched on, which clearly affects the transient behavior. The agreement of the experimental and modelled concentration profiles is excellent as evidenced by a coefficient of determination of at least 0.965. To demonstrate the reliability and accuracy of all parameters obtained from the modelling approach, an ultimate validation test was performed using other conditions than the ones used for estimating the kinetic parameters. The model was able to accurately simulate simultaneous adsorption, desorption and photocatalytic degradation. |
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Wos |
000384777200089 |
Publication Date |
2016-07-08 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947; 1873-3212 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
10 |
Open Access |
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Notes |
; J.V.W. acknowledges the Agentschap Innoveren & Ondernemen for a PhD fellowship. S.W.V. acknowledges the Research Foundation – Flanders (FWO) for a postdoctoral fellowship. ; |
Approved |
Most recent IF: 6.216 |
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Call Number |
UA @ admin @ c:irua:139620 |
Serial |
5933 |
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Author |
Lybaert, J.; Trashin, S.; Maes, B.U.W.; De Wael, K.; Abbaspour Tehrani, K. |
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Title |
Cooperative electrocatalytic and chemoselective alcohol oxidation by Shvo's catalyst |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Advanced synthesis and catalysis |
Abbreviated Journal |
Adv Synth Catal |
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Volume |
359 |
Issue |
6 |
Pages |
919-925 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Organic synthesis (ORSY) |
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Abstract |
A new electrocatalytic conversion of alcohols to ketones and aldehydes was developed based on an electrochemical study of Shvos complex. The oxidation of secondary alcohols was efficiently performed under mild conditions using a catalytic amount of Shvos catalyst, in combination with a sub-stoichiometric amount of 2,6-dimethoxy-1,4- benzoquinone in N,N-dimethylformamide at 80 8C. The hydroquinone thus formed is continuously reoxidized with the aid of an electrochemical device. Excellent yields for different ketones, aromatic as well as aliphatic and a,b-unsaturated ketones, are obtained. In addition, chemoselectivity towards oxidation of the secondary alcohol is achieved when converting vicinal diols such as 1,2-octanediol and 1,2-decanediol. |
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Wos |
000397584000003 |
Publication Date |
2017-01-26 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1615-4150; 1615-4169 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.646 |
Times cited |
4 |
Open Access |
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Notes |
; This work was financially supported by the University of Antwerp (BOF), the Research Foundation – Flanders (FWO) and the Hercules Foundation. ; |
Approved |
Most recent IF: 5.646 |
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Call Number |
UA @ admin @ c:irua:139795 |
Serial |
5559 |
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Author |
Snoeckx, R.; Ozkan, A.; Reniers, F.; Bogaerts, A. |
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Title |
The Quest for Value-Added Products from Carbon Dioxide and Water in a Dielectric Barrier Discharge: A Chemical Kinetics Study |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
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Volume |
10 |
Issue |
10 |
Pages |
409-424 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Recycling of carbon dioxide by its conversion into value-added products has gained significant interest owing to the role it can play for use in an anthropogenic carbon cycle. The combined conversion with H2O could even mimic the natural photosynthesis process. An interesting gas conversion technique currently being considered in the field of CO2 conversion is plasma technology. To investigate whether it is also promising for this combined conversion, we performed a series of experiments and developed a chemical kinetics plasma chemistry model for a deeper understanding of the process. The main products formed were the syngas components CO and H2, as well as O2 and H2O2, whereas methanol formation was only observed in the parts-per-billion to parts-per-million range. The syngas ratio, on the other hand, could easily be controlled by varying both the water content and/or energy input. On the basis of the model, which was validated with experimental results, a chemical kinetics analysis was performed, which allowed the construction and investigation of the different pathways leading to the observed experimental results and which helped to clarify these results. This approach allowed us to evaluate this technology on the basis of its underlying chemistry and to propose solutions on how to further improve the formation of value-added products by using plasma technology. |
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Wos |
000394571900012 |
Publication Date |
2016-11-25 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1864-5631 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.226 |
Times cited |
25 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from the Inter-university Attraction Pole (IAP; grant number IAP-VII/12, P7/34) program “PSI-Physical Chemistry of Plasma-Surface Interactions”, financially supported by the Belgian Federal Office for Science Policy (BELSPO), as well as the Fund for Scientific Research Flanders (FWO; grant number G.0066.12N). This work was performed in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. We also would like to thank the financial support given by “Fonds David et Alice Van Buuren”. Finally, we are very grateful to M. Kushner for providing the Global kin code, to T. Dufour for his support during the experiments, and to R. Aerts for his support during the model development. |
Approved |
Most recent IF: 7.226 |
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Call Number |
PLASMANT @ plasmant @ c:irua:139880 |
Serial |
4412 |
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Author |
Pintucci, C.; Carballa, M.; Varga, S.; Sarli, J.; Peng, L.; Bousek, J.; Pedizzi, C.; Ruscalleda, M.; Tarragó, E.; Prat, D.; Colica, G.; Picavet, M.; Colsen, J.; Benito, O.; Balaguer, M.; Puig, S.; Lema, J.M.; Colprim, J.; Fuchs, W.; Vlaeminck, S.E. |
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Title |
The ManureEcoMine pilot installation : advanced integration of technologies for the management of organics and nutrients in livestock waste |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Water science and technology |
Abbreviated Journal |
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Volume |
75 |
Issue |
6 |
Pages |
1281-1293 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Manure represents an exquisite mining opportunity for nutrient recovery (nitrogen and phosphorus), and for their reuse as renewable fertilisers. The ManureEcoMine proposes an integrated approach of technologies, operated in a pilot-scale installation treating swine manure (83.7%) and Ecofrit® (16.3%), a mix of vegetable residues. Thermophilic anaerobic digestion was performed for 150 days, the final organic loading rate was 4.6 kgCOD m−3 d−1, with a CH4 production of 1.4 Nm3 m−3 d−1. The digester was coupled to an ammonia side-stream stripping column and a scrubbing unit for free ammonia inhibition reduction in the digester and nitrogen recovery as ammonium sulphate. The stripped digestate was recirculated daily in the digester for 15 days (68% of the digester volume), increasing the gas production rate by 27%. Following a decanter centrifuge, the digestate liquid fraction was treated with an ultrafiltration membrane. The filtrate was fed into a struvite reactor, with a phosphorus recovery efficiency of 83% (as orthophosphate). Acidification of digestate could increment the soluble orthophosphate concentration up to 4 times, enhancing phosphorus enrichment in the liquid fraction and its recovery via struvite. A synergistic combination of manure processing steps was demonstrated to be technologically feasible to upgrade livestock waste into refined, concentrated fertilisers. |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000397590800003 |
Publication Date |
2016-12-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0273-1223; 1996-9732 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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| |
Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:139911 |
Serial |
8200 |
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| Permanent link to this record |
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| |
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Author |
Cagnetta, C.; Coma, M.; Vlaeminck, S.E.; Rabaey, K. |
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| |
Title |
Production of carboxylates from high rate activated sludge through fermentation |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Bioresource technology |
Abbreviated Journal |
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|
| |
Volume |
217 |
Issue |
|
Pages |
165-172 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
The aim of this work was to study the key parameters affecting fermentation of high rate activated A-sludge to carboxylates, including pH, temperature, inoculum, sludge composition and iron content. The maximum volatile fatty acids production was 141 mg C g−1 VSSfed, at pH 7. Subsequently the potential for carboxylate and methane production for A-sludge from four different plants at pH 7 and 35 °C were compared. Initial BOD of the sludge appeared to be key determining carboxylate yield from A-sludge. Whereas methanogenesis could be correlated linearly to the quantity of ferric used for coagulation, fermentation did not show a dependency on iron presence. This difference may enable a strategy whereby A-stage sludge is separated to achieve fermentation, and iron dosing for phosphate removal is only implemented at the B-stage. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000380226300023 |
Publication Date |
2016-03-22 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0960-8524 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:139912 |
Serial |
8421 |
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| Permanent link to this record |
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| |
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Author |
Coppens, J.; Lindeboom, R.; Muys, M.; Coessens, W.; Alloul, A.; Meerbergen, K.; Lievens, B.; Clauwaert, P.; Boon, N.; Vlaeminck, S.E. |
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| |
Title |
Nitrification and microalgae cultivation for two-stage biological nutrient valorization from source separated urine |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Bioresource technology |
Abbreviated Journal |
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|
| |
Volume |
211 |
Issue |
|
Pages |
41-50 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Urine contains the majority of nutrients in urban wastewaters and is an ideal nutrient recovery target. In this study, stabilization of real undiluted urine through nitrification and subsequent microalgae cultivation were explored as strategy for biological nutrient recovery. A nitrifying inoculum screening revealed a commercial aquaculture inoculum to have the highest halotolerance. This inoculum was compared with municipal activated sludge for the start-up of two nitrification membrane bioreactors. Complete nitrification of undiluted urine was achieved in both systems at a conductivity of 75 mS cm−1 and loading rate above 450 mg N L−1 d−1. The halotolerant inoculum shortened the start-up time with 54%. Nitrite oxidizers showed faster salt adaptation and Nitrobacter spp. became the dominant nitrite oxidizers. Nitrified urine as growth medium for Arthrospira platensis demonstrated superior growth compared to untreated urine and resulted in a high protein content of 62%. This two-stage strategy is therefore a promising approach for biological nutrient recovery. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000375186700006 |
Publication Date |
2016-03-06 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0960-8524 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:139913 |
Serial |
8307 |
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| Permanent link to this record |
| |
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| |
|
Author |
Meerburg, F.A.; Vlaeminck, S.E.; Roume, H.; Seuntjens, D.; Pieper, D.H.; Jauregui, R.; Vilchez-Vargas, R.; Boon, N. |
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| |
Title |
High-rate activated sludge communities have a distinctly different structure compared to low-rate sludge communities, and are less sensitive towards environmental and operational variables |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Water research |
Abbreviated Journal |
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|
| |
Volume |
100 |
Issue |
|
Pages |
137-145 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
High-rate activated sludge processes allow for the recovery of organics and energy from wastewaters. These systems are operated at a short sludge retention time and high sludge-specific loading rates, which results in a higher sludge yield and better digestibility than conventional, low-rate activated sludge. Little is known about the microbial ecology of high-rate systems. In this work, we address the need for a fundamental understanding of how high-rate microbial communities differ from low-rate communities. We investigated the high-rate and low-rate communities in a sewage treatment plant in relation to environmental and operational variables over a period of ten months. We demonstrated that (1) high-rate and low-rate communities are distinctly different in terms of richness, evenness and composition, (2) high-rate community dynamics are more variable and less shaped by deterministic factors compared to low-rate communities, (3) sub-communities of continuously core and transitional members are more shaped by deterministic factors than the continuously rare members, both in high-rate and low-rate communities, and (4) high-rate community members showed a co-occurrence pattern similar to that of low-rate community members, but were less likely to be correlated to environmental and operational variables. These findings provide a basis for further optimization of high-rate systems, in order to facilitate resource recovery from wastewater. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000378448800014 |
Publication Date |
2016-05-08 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0043-1354; 1879-2448 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:139914 |
Serial |
8035 |
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| Permanent link to this record |
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| |
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Author |
Janssens, K.; van der Snickt, G.; Vanmeert, F.; Legrand, S.; Nuyts, G.; Alfeld, M.; Monico, L.; Anaf, W.; de Nolf, W.; Vermeulen, M.; Verbeeck, J.; De Wael, K. |
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| |
Title |
Non-invasive and non-destructive examination of artistic pigments, paints, and paintings by means of X-Ray methods |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Topics in Current Chemistry |
Abbreviated Journal |
Topics Curr Chem |
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| |
Volume |
374 |
Issue |
374 |
Pages |
81 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
Recent studies are concisely reviewed, in which X-ray beams of (sub)micrometre to millimetre dimensions have been used for non-destructive analysis and characterization of pigments, minute paint samples, and/or entire paintings from the seventeenth to the early twentieth century painters. The overview presented encompasses the use of laboratory and synchrotron radiation-based instrumentation and deals with the use of several variants of X-ray fluorescence (XRF) as a method of elemental analysis and imaging, as well as with the combined use of X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). Microscopic XRF is a variant of the method that is well suited to visualize the elemental distribution of key elements, mostly metals, present in paint multi-layers, on the length scale from 1 to 100 μm inside micro-samples taken from paintings. In the context of the characterization of artists pigments subjected to natural degradation, the use of methods limited to elemental analysis or imaging usually is not sufficient to elucidate the chemical transformations that have taken place. However, at synchrotron facilities, combinations of μ-XRF with related methods such as μ-XAS and μ-XRD have proven themselves to be very suitable for such studies. Their use is often combined with microscopic Fourier transform infra-red spectroscopy and/or Raman microscopy since these methods deliver complementary information of high molecular specificity at more or less the same length scale as the X-ray microprobe techniques. Since microscopic investigation of a relatively limited number of minute paint samples, taken from a given work of art, may not yield representative information about the entire artefact, several methods for macroscopic, non-invasive imaging have recently been developed. Those based on XRF scanning and full-field hyperspectral imaging appear very promising; some recent published results are discussed. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Springer international publishing ag |
Place of Publication |
Cham |
Editor |
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| |
Language |
|
Wos |
000391178900006 |
Publication Date |
2016-11-21 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2365-0869;2364-8961; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.033 |
Times cited |
50 |
Open Access |
|
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| |
Notes |
; ; |
Approved |
Most recent IF: 4.033 |
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| |
Call Number |
UA @ lucian @ c:irua:139930UA @ admin @ c:irua:139930 |
Serial |
4443 |
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| Permanent link to this record |
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| |
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Author |
Bogaerts, A.; Aghaei, M. |
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| |
Title |
Inductively coupled plasma-mass spectrometry: insights through computer modeling |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
|
| |
Volume |
32 |
Issue |
32 |
Pages |
233-261 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
In this tutorial review paper, we illustrate how computer modeling can contribute to a better insight in inductively coupled plasma-mass spectrometry (ICP-MS). We start with a brief overview on previous efforts, studying the fundamentals of the ICP and ICP-MS, with main focus on previous modeling activities. Subsequently, we explain in detail the model that we developed in previous years, and we show typical calculation results, illustrating the plasma characteristics, gas flow patterns and the sample transport, evaporation and ionization. We also present the effect of various experimental parameters, such as operating conditions, geometrical aspects and sample characteristics, to illustrate how modeling can help to elucidate the optimal conditions for improved analytical performance. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
000395529800002 |
Publication Date |
2016-12-07 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0267-9477 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.379 |
Times cited |
14 |
Open Access |
OpenAccess |
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| |
Notes |
The authors are very grateful to H. Lindner for the initial model development and for the many interesting discussions. They also gratefully acknowledge nancial support from the Fonds voor Wetenschappelijk Onderzoek (FWO; Grant number 6713). The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 3.379 |
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| |
Call Number |
PLASMANT @ plasmant @ c:irua:140074 |
Serial |
4416 |
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| Permanent link to this record |
| |
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| |
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Author |
Juchtmans, R.; Clark, L.; Lubk, A.; Verbeeck, J. |
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| |
Title |
Spiral phase plate contrast in optical and electron microscopy |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical review A |
Abbreviated Journal |
Phys Rev A |
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| |
Volume |
94 |
Issue |
94 |
Pages |
023838 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The use of phase plates in the back focal plane of a microscope is a well-established technique in optical microscopy to increase the contrast of weakly interacting samples and is gaining interest in electron microscopy as well. In this paper we study the spiral phase plate (SPP), also called helical, vortex, or two-dimensional Hilbert phase plate, which adds an angularly dependent phase of the form exp(iℓϕk) to the exit wave in Fourier space. In the limit of large collection angles, we analytically calculate that the average of a pair of l=+-1
SPP filtered images is directly proportional to the gradient squared of the exit wave, explaining the edge contrast previously seen in optical SPP work. We discuss the difference between a clockwise-anticlockwise pair of SPP filtered images and derive conditions under which the modulus of the wave's gradient can be seen directly from one SPP filtered image. This work provides the theoretical background to interpret images obtained with a SPP, thereby opening new perspectives for new experiments to study, for example, magnetic materials in an electron microscope. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000381882800011 |
Publication Date |
2016-08-22 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2469-9926 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.925 |
Times cited |
10 |
Open Access |
|
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| |
Notes |
The authors acknowledge support from the FWO (Aspirant Fonds Wetenschappelijk Onderzoek – Vlaanderen) and the EU under the Seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2 and ERC Starting Grant No. 278510 VORTEX.; ECASJO_ |
Approved |
Most recent IF: 2.925 |
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| |
Call Number |
EMAT @ emat @ c:irua:140086 |
Serial |
4418 |
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| Permanent link to this record |
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| |
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Author |
Khalilov, U.; Bogaerts, A.; Xu, B.; Kato, T.; Kaneko, T.; Neyts, E.C. |
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| |
Title |
How the alignment of adsorbed ortho H pairs determines the onset of selective carbon nanotube etching |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
|
| |
Volume |
9 |
Issue |
9 |
Pages |
1653-1661 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Unlocking the enormous technological potential of carbon nanotubes strongly depends on our ability to specifically produce metallic or semiconducting tubes. While selective etching of both has already been demonstrated, the underlying reasons, however, remain elusive as yet. We here present computational and experimental evidence on the operative mechanisms at the atomic scale. We demonstrate that during the adsorption of H atoms and their coalescence, the adsorbed ortho hydrogen pairs on single-walled carbon nanotubes induce higher shear stresses than axial stresses, leading to the elongation of HC–CH bonds as a function of their alignment with the tube chirality vector, which we denote as the γ-angle. As a result, the C–C cleavage occurs more rapidly in nanotubes containing ortho H-pairs with a small γ-angle. This phenomenon can explain the selective etching of small-diameter semiconductor nanotubes with a similar curvature. Both theoretical and experimental results strongly indicate the important role of the γ-angle in the selective etching mechanisms of carbon nanotubes, in addition to the nanotube curvature and metallicity effects and lead us to clearly understand the onset of selective synthesis/removal of CNT-based materials. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000395422800036 |
Publication Date |
2016-12-19 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2040-3364 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
7.367 |
Times cited |
6 |
Open Access |
OpenAccess |
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| |
Notes |
U. K. gratefully acknowledges financial support from the Fund of Scientific Research Flanders (FWO), Belgium (Grant No. 12M1315N). This work was also supported in part by Grant-in- Aid for Young Scientists A (Grant No. 25706028), Grant-in-Aid for Scientific Research on Innovative Areas (Grant No. 26107502) from JSPS KAKENHI. This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. The authors also thank Prof. A. C. T. van Duin for sharing the ReaxFF code and J. Razzokov for his assistance to perform the DFT calculations. |
Approved |
Most recent IF: 7.367 |
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| |
Call Number |
PLASMANT @ plasmant @ c:irua:140091 |
Serial |
4417 |
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| Permanent link to this record |
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| |
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Author |
Ozkan, A.; Bogaerts, A.; Reniers, F. |
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| |
Title |
Routes to increase the conversion and the energy efficiency in the splitting of CO2by a dielectric barrier discharge |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
|
| |
Volume |
50 |
Issue |
50 |
Pages |
084004 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Here, we present routes to increase CO2 conversion into CO using an atmospheric pressure dielectric-barrier discharge. The change in conversion as a function of simple plasma parameters, such as power, flow rate, but also frequency, on-and-off power pulse, thickness and the chemical nature of the dielectric, wall and gas temperature, are described. By means of an in-depth electrical characterization of the discharge (effective plasma voltage, dielectric voltage, plasma current, number and lifetime of the microdischarges), combined with infrared analysis of the walls of the reactor, optical emission spectroscopy for the gas temperature, and mass spectrometry for the CO2 conversion, we propose a global interpretation of the effect of all the experimental parameters on the conversion and efficiency of the reaction. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000395400700001 |
Publication Date |
2017-01-30 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.588 |
Times cited |
28 |
Open Access |
OpenAccess |
|
| |
Notes |
The authors acknowledge financial support from the IAPVII/ 12, P7/34 (Interuniversity Attraction Pole) program PSIPhysical Chemistry of Plasma–Surface Interaction financially supported by the Belgian Federal Office for Science Policy (BELSPO). A Ozkan would like to thank the financial support given by the Fonds David et Alice Van Buuren. |
Approved |
Most recent IF: 2.588 |
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| |
Call Number |
PLASMANT @ plasmant @ c:irua:140093 |
Serial |
4415 |
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| Permanent link to this record |
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| |
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Author |
Yusupov, M.; Van der Paal, J.; Neyts, E.C.; Bogaerts, A. |
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| |
Title |
Synergistic effect of electric field and lipid oxidation on the permeability of cell membranes |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Biochimica et biophysica acta : G : general subjects |
Abbreviated Journal |
Bba-Gen Subjects |
|
| |
Volume |
1861 |
Issue |
1861 |
Pages |
839-847 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Background: Strong electric fields are knownto affect cell membrane permeability,which can be applied for therapeutic purposes, e.g., in cancer therapy. A synergistic enhancement of this effect may be accomplished by the presence of reactive oxygen species (ROS), as generated in cold atmospheric plasmas. Little is known about the synergy between lipid oxidation by ROS and the electric field, nor on howthis affects the cell membrane permeability.
Method: We here conduct molecular dynamics simulations to elucidate the dynamics of the permeation process under the influence of combined lipid oxidation and electroporation. A phospholipid bilayer (PLB), consisting of di-oleoyl-phosphatidylcholine molecules covered with water layers, is used as a model system for the plasma membrane.
Results and conclusions:Weshow howoxidation of the lipids in the PLB leads to an increase of the permeability of the bilayer to ROS, although the permeation free energy barriers still remain relatively high. More importantly, oxidation of the lipids results in a drop of the electric field threshold needed for pore formation (i.e., electroporation) in the PLB. The created pores in the membrane facilitate the penetration of reactive plasma species deep into the cell interior, eventually causing oxidative damage.
General significance: This study is of particular interest for plasma medicine, as plasma generates both ROS and electric fields, but it is also of more general interest for applications where strong electric fields and ROS both come into play. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000397366200012 |
Publication Date |
2017-01-27 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0304-4165 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.702 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
This work is financially supported by the Fund for Scientific Research Flanders (FWO; grant numbers: 1200216N and 11U5416N). The work was carried out using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flem |
Approved |
Most recent IF: 4.702 |
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| |
Call Number |
PLASMANT @ plasmant @ c:irua:140095 |
Serial |
4413 |
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| Permanent link to this record |
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| |
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Author |
Lubk, A.; Vogel, K.; Wolf, D.; Krehl, J.; Röder, F.; Clark, L.; Guzzinati, G.; Verbeeck, J. |
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| |
Title |
Fundamentals of Focal Series Inline Electron Holography |
Type |
H1 Book chapter |
| |
Year |
2016 |
Publication |
Advances in imaging and electron physics
T2 – Advances in imaging and electron physics / Hawkes, P.W. [edit.] |
Abbreviated Journal |
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| |
Volume |
|
Issue |
|
Pages |
105-147 |
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Keywords |
H1 Book chapter; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Elsevier BV |
Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2016-09-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1076-5670; http://id.crossref.org/isbn/9780128048115 |
ISBN |
9780128048115 |
Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
L.C., G.G., and J.V. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant no. 278510 VORTEX. A.L., K.V., J. K., D.W., and F.R. acknowledge funding from the DIP of the Deutsche Forschungsgesellschaft.; ECASJO_; |
Approved |
Most recent IF: NA |
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| |
Call Number |
EMAT @ emat @ c:irua:140097UA @ admin @ c:irua:140097 |
Serial |
4419 |
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| Permanent link to this record |
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Author |
Meire, M.; Verbruggen, S.W.; Lenaerts, S.; Lommens, P.; Van Der Voort, P.; Van Driessche, I. |
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| |
Title |
Microwave-assisted synthesis of mesoporous titania with increased crystallinity, specific surface area, and photocatalytic activity |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of materials science |
Abbreviated Journal |
J Mater Sci |
|
| |
Volume |
51 |
Issue |
21 |
Pages |
9822-9829 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Mesoporous titanium dioxide is a material finding its use in a wide range of applications. For many of these, it is important to achieve a high degree of crystallinity in the material. It is generally accepted that the use of the soft templating approach to synthesize mesoporous titania, results in a compromise between crystallinity and specific surface area due to thermal instability of the used templates. In this paper, we explore how the use of microwave irradiation can influence the crystallinity, specific surface area, and the electronic properties of mesoporous titania. Therefore, we combined microwave radiation with an evaporation-induced self-assembly (EISA) synthesis. We show that additional microwave treatment at carefully chosen synthesis steps can enhance the crystallinity with 20 % without causing significant loss of surface area (>360 m2/g). Surface photovoltage measurements were used to investigate the electronic properties. The photocatalytic activity of the samples was evaluated in aqueous media by following the degradation of an industrial dye, methylene blue, and the herbicide isoproturon under UV irradiation and in gaseous media looking at the degradation of acetaldehyde, a common indoor pollutant under UVA irradiation. In all cases, the microwave treatment results in more active materials. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000381182200023 |
Publication Date |
2016-07-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0022-2461 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.599 |
Times cited |
8 |
Open Access |
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| |
Notes |
; M. Meire and S. W. Verbruggen acknowledge the FWO-Flanders (Fund for Scientific Research-Flanders) for financial support. We want to thank T. Planckaert for the N<INF>2</INF> sorption measurements, J. Watte for the XRD measurements, and professor K. De Buysser for the quantitative Rietveld refinements. ; |
Approved |
Most recent IF: 2.599 |
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| |
Call Number |
UA @ admin @ c:irua:140098 |
Serial |
5970 |
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| Permanent link to this record |
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Author |
Eleftheriadis, G.K.; Filippousi, M.; Tsachouridou, V.; Darda, M.-A.; Sygellou, L.; Kontopoulou, I.; Bouropoulos, N.; Steriotis, T.; Charalambopoulou, G.; Vizirianakis, I.S.; Van Tendeloo, G.; Fatouros, D.G. |
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| |
Title |
Evaluation of mesoporous carbon aerogels as carriers of the non-steroidal anti-inflammatory drug ibuprofen |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
International journal of pharmaceutics |
Abbreviated Journal |
Int J Pharmaceut |
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| |
Volume |
515 |
Issue |
515 |
Pages |
262-270 |
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| |
Keywords |
A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Towards the development of novel drug carriers for oral delivery of poorly soluble drugs mesoporous aerogel carbons (CAs), namely CA10 and CA20 with different pore sizes (10 and 20 nm, respectively), were evaluated. The non-steroidal anti-inflammatory lipophilic compound ibuprofen was incorporated via passive loading. The drug loaded carbon aerogels were systemically investigated by means of High-Resolution Transmission Electron Microscopy (HR-TEM), Nitrogen physisorption studies, X-ray diffraction (XRD), Differential Scanning Calorimetry (DSC), X-ray photon electron spectroscopy (XPS) and zeta-potential studies. In vitro release studies were performed in simulated intestinal fluids reflecting both fasted (FaSSIF) and fed (FeSSIF) state conditions. Cytotoxicity studies were conducted with human intestinal cells (Caco-2). Drug was in an amorphous state in the pores of the carbon carrier as shown from the physicochemical characterization studies. The results showed marked differences in the release profiles for ibuprofen from the two aerogels in the media tested whereas in vitro toxicity profiles appear to be compatible with potential therapeutic applications at low concentrations. (C) 2016 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000389150700024 |
Publication Date |
2016-10-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0378-5173 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.649 |
Times cited |
7 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.649 |
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| |
Call Number |
UA @ lucian @ c:irua:140231 |
Serial |
4441 |
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| Permanent link to this record |
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Author |
Petrovic, M.D.; Peeters, F.M. |
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Title |
Quantum transport in graphene Hall bars: Effects of vacancy disorder |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
94 |
Issue |
94 |
Pages |
235413 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Using the tight-binding model, we investigate the influence of vacancy disorder on electrical transport in graphene Hall bars in the presence of quantizing magnetic fields. Disorder, induced by a random distribution of monovacancies, breaks the graphene sublattice symmetry and creates states localized on the vacancies. These states are observable in the bend resistance, as well as in the total DOS. Their energy is proportional to the square root of the magnetic field, while their localization length is proportional to the cyclotron radius. At the energies of these localized states, the electron current flows around the monovacancies and, as we show, it can follow unexpected paths depending on the particular arrangement of vacancies. We study how these localized states change with the vacancy concentration, and what are the effects of including the next-nearest-neighbor hopping term. Our results are also compared with the situation when double vacancies are present in the system. Double vacancies also induce localized states, but their energy and magnetic field dependencies are different. Their localization energy scales linearly with the magnetic field, and their localization length appears not to depend on the field strength. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000389574200005 |
Publication Date |
2016-12-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
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Notes |
; This work was supported by the Methusalem program of the Flemish government. ; |
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
UA @ lucian @ c:irua:140237 |
Serial |
4459 |
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| Permanent link to this record |
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Author |
Iyikanat, F.; Senger, R.T.; Peeters, F.M.; Sahin, H. |
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Title |
Quantum-Transport Characteristics of a p-n Junction on Single-Layer TiS3 |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
Abbreviated Journal |
Chemphyschem |
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| |
Volume |
17 |
Issue |
17 |
Pages |
3985-3991 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
By using density functional theory and non-equilibrium Green's function-based methods, we investigated the electronic and transport properties of a TiS3 monolayer p-n junction. We constructed a lateral p-n junction on a TiS3 monolayer using Li and F adatoms. An applied bias voltage caused significant variability in the electronic and transport properties of the TiS3 p-n junction. In addition, the spin-dependent current-volt-age characteristics of the constructed TiS3 p-n junction were analyzed. Important device characteristics were found, such as negative differential resistance and rectifying diode behaviors for spin-polarized currents in the TiS3 p-n junction. These prominent conduction properties of the TiS3 p-n junction offer remarkable opportunities for the design of nanoelectronic devices based on a recently synthesized single-layered material. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000389534800018 |
Publication Date |
2016-09-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1439-4235 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.075 |
Times cited |
12 |
Open Access |
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Notes |
; This work was supported by the bilateral project between TUBITAK (through Grant No. 113T050) and the Flemish Science Foundation (FWO-Vl). The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). FI, HS, and RTS acknowledge the support from TUBITAK Project No 114F397. H.S. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. ; |
Approved |
Most recent IF: 3.075 |
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| |
Call Number |
UA @ lucian @ c:irua:140245 |
Serial |
4458 |
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| Permanent link to this record |
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Author |
Zhang, F.; Inokoshi, M.; Batuk, M.; Hadermann, J.; Naert, I.; Van Meerbeek, B.; Vleugels, J. |
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Title |
Strength, toughness and aging stability of highly-translucent Y-TZP ceramics for dental restorations |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Dental Materials |
Abbreviated Journal |
Dent Mater |
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| |
Volume |
32 |
Issue |
32 |
Pages |
e327-e337 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Abstract |
OBJECTIVE: The aim was to evaluate the optical properties, mechanical properties and aging stability of yttria-stabilized zirconia with different compositions, highlighting the influence of the alumina addition, Y2O3 content and La2O3 doping on the translucency. METHODS: Five different Y-TZP zirconia powders (3 commercially available and 2 experimentally modified) were sintered under the same conditions and characterized by X-ray diffraction with Rietveld analysis and scanning electron microscopy (SEM). Translucency (n=6/group) was measured with a color meter, allowing to calculate the translucency parameter (TP) and the contrast ratio (CR). Mechanical properties were appraised with four-point bending strength (n=10), single edge V-notched beam (SEVNB) fracture toughness (n=8) and Vickers hardness (n=10). The aging stability was evaluated by measuring the tetragonal to monoclinic transformation (n=3) after accelerated hydrothermal aging in steam at 134 degrees C, and the transformation curves were fitted by the Mehl-Avrami-Johnson (MAJ) equation. Data were analyzed by one-way ANOVA, followed by Tukey's HSD test (alpha=0.05). RESULTS: Lowering the alumina content below 0.25wt.% avoided the formation of alumina particles and therefore increased the translucency of 3Y-TZP ceramics, but the hydrothermal aging stability was reduced. A higher yttria content (5mol%) introduced about 50% cubic zirconia phase and gave rise to the most translucent and aging-resistant Y-TZP ceramics, but the fracture toughness and strength were considerably sacrificed. 0.2mol% La2O3 doping of 3Y-TZP tailored the grain boundary chemistry and significantly improved the aging resistance and translucency. Although the translucency improvement by La2O3 doping was less effective than for introducing a substantial amount of cubic zirconia, this strategy was able to maintain the mechanical properties of typical 3Y-TZP ceramics. SIGNIFICANCE: Three different approaches were compared to improve the translucency of 3Y-TZP ceramics. |
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Address |
KU Leuven, Department of Materials Engineering, Kasteelpark Arenberg 44, Belgium |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
English |
Wos |
000389516400003 |
Publication Date |
2016-10-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0109-5641 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.07 |
Times cited |
|
Open Access |
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Notes |
The authors acknowledge the Research Fund of KU Leu- ven under project 0T/10/052 and the Fund for Scientific Research Flanders (FWO-Vlaanderen) under grant G.0431.10N. F. Zhang thanks the Research Fund of KU Leuven for her post- doctoral fellowship (PDM/15/153). We thank M. Peumans for the translucency measurements. |
Approved |
Most recent IF: 4.07 |
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Call Number |
EMAT @ emat @ c:irua:136821 |
Serial |
4313 |
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| Permanent link to this record |
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Author |
Yu, H.; Kopach, A.; Misko, V.R.; Vasylenko, A.A.; Makarov, D.; Marchesoni, F.; Nori, F.; Baraban, L.; Cuniberti, G. |
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Title |
Confined Catalytic Janus Swimmers in a Crowded Channel: Geometry-Driven Rectification Transients and Directional Locking |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Small |
Abbreviated Journal |
Small |
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| |
Volume |
12 |
Issue |
12 |
Pages |
5882-5890 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Self-propelled Janus particles, acting as microscopic vehicles, have the potential to perform complex tasks on a microscopic scale, suitable, e.g., for environmental applications, on-chip chemical information processing, or in vivo drug delivery. Development of these smart nanodevices requires a better understanding of how synthetic swimmers move in crowded and confined environments that mimic actual biosystems, e.g., network of blood vessels. Here, the dynamics of self-propelled Janus particles interacting with catalytically passive silica beads in a narrow channel is studied both experimentally and through numerical simulations. Upon varying the area density of the silica beads and the width of the channel, active transport reveals a number of intriguing properties, which range from distinct bulk and boundary-free diffusivity at low densities, to directional “locking” and channel “unclogging” at higher densities, whereby a Janus swimmer is capable of transporting large clusters of passive particles. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000389403900010 |
Publication Date |
2016-09-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1613-6810 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.643 |
Times cited |
14 |
Open Access |
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Notes |
; H.Y., A.K., and L.B. contributed equally to this work. This work was funded in part by the European Union (ERDF) and the Free State of Saxony via the ESF project InnoMedTec, the DFG cluster for Excellence, the Center for Advancing Electronics Dresden (CfAED), and via the European Research Council under the European Union's Seventh Framework program (FP7/2007-2013)/ERC grant agreement no. 306277. V.R.M. and A.A.V. acknowledge support from the Odysseus Program of the Flemish Government and the FWO-VI. F.N. is partially supported by the RIKEN iTHES Project, the MURI Center for Dynamic Magneto-Optics via the AFOSR Grant No. FA9550-14-1-0040, the IMPACT program of the JST, and a Grant-in-Aid for the Scientific Research (A). ; |
Approved |
Most recent IF: 8.643 |
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Call Number |
UA @ lucian @ c:irua:140256 |
Serial |
4453 |
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| Permanent link to this record |
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Author |
Neilson, D.; Perali, A.; Zarenia, M. |
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Title |
Many-body electron correlations in graphene |
Type |
P1 Proceeding |
| |
Year |
2016 |
Publication |
(mbt18) |
Abbreviated Journal |
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| |
Volume |
702 |
Issue |
702 |
Pages |
012008 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
The conduction electrons in graphene promise new opportunities to access the region of strong many-body electron-electron correlations. Extremely high quality, atomically flat two-dimensional electron sheets and quasi-one-dimensional electron nanoribbons with tuneable band gaps that can be switched on by gates, should exhibit new many-body phenomena that have long been predicted for the regions of phase space where the average Coulomb repulsions between electrons dominate over their Fermi energies. In electron nanoribbons a few nanometres wide etched in monolayers of graphene, the quantum size effects and the van Hove singularities in their density of states further act to enhance electron correlations. For graphene multilayers or nanoribbons in a double unit electron-hole geometry, it is possible for the many-body electron-hole correlations to be made strong enough to stabilise high-temperature electron- hole superfluidity. |
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Corporate Author |
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Thesis |
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Publisher |
Iop publishing ltd |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000389756000008 |
Publication Date |
2016-04-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
702 |
Series Issue |
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Edition |
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ISSN |
1742-6588; 1742-6596 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
3 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:140268 |
Serial |
4455 |
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Author |
Desmet, N.; Touchant, K.; Seuntjens, P.; Tang, T.; Bronders, J. |
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Title |
A hybrid monitoring and modelling approach to assess the contribution of sources of glyphosate and AMPA in large river catchments |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
The science of the total environment |
Abbreviated Journal |
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| |
Volume |
573 |
Issue |
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Pages |
1580-1588 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Large river catchments with mixed land use capture pesticides from many sources, and degradable pesticides are converted during downstream transport. Unravelling the contribution of pesticide source and the effect of degradation processes is a challenge in such areas. However, insight and understanding of the sources is important for targeted managen-lent, especially when water is abstracted from the river for drinking water production. The river Meuse is such a case. A long-term monitoring data set was applied in a modelling approach for assessing the contribution of waste water treatment plants (WWTPs) and tributaries (sub-basins) to surface water contamination, and to evaluate the effect of decay on the downstream concentrations of glyphosate and AMPA at the point of drinking water abstraction. The results show that WWTPs are important contributors for glyphosate and AMPA in large river catchments with mixed land uses. In the studied area, the river Meuse in the Netherlands, the relative contribution of WWTP effluents is above 29% for glyphosate and around 12% for AMPA. Local industries are found to be potentially big contributors of AMPA. Glyphosate entering the river system is gradually converted to AMPA and other degradation-productions, which results in downstream loads that are considerably lower than the sum of all influxes. In summer when the travel time is longer due to lower discharge, the first order decay of glyphosate in the river Meuse is estimated to result in about 50% reduction of the downstream glyphosate concentrations over a river stretch of 250 km. The contribution of glyphosate decay to the observed AMPA concentrations ranges between 2% and 10%. Contributions are sensitive to seasonal variations in discharge that influence the concentrations through dilution and degradation. (C) 2016 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000390071000153 |
Publication Date |
2016-10-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0048-9697; 1879-1026 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:140296 |
Serial |
7391 |
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| Permanent link to this record |
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Author |
Kuno, Y.; Tassel, C.; Fujita, K.; Batuk, D.; Abakumov, A.M.; Shitara, K.; Kuwabara, A.; Moriwake, H.; Watabe, D.; Ritter, C.; Brown, C.M.; Yamamoto, T.; Takeiri, F.; Abe, R.; Kobayashi, Y.; Tanaka, K.; Kageyama, H. |
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Title |
ZnTaO2N: Stabilized High-Temperature LiNbO3-type Structure |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
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| |
Volume |
138 |
Issue |
138 |
Pages |
15950-15955 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
By using a high-pressure reaction, we prepared a new oxynitride ZnTaO2N that crystallizes in a centrosymmetric (R (3) over barc) high-temperature LiNbO3-type structure (HTLN-type). The stabilization of the HTLN-type structure down to low temperatures (at least 20 K) makes it possible to investigate not only the stability of this phase, but also the phase transition to a noncentrosymmetric (R3c) LiNbO3-type structure (LN-type) which is yet to be clarified. Synchrotron and neutron diffraction studies in combination with transmission electron microscopy show that Zn is located at a disordered 12c site instead of 6a, implying an order disorder mechanism of the phase transition. It is found that the dosed d-shell of Zn2+, as well as the high-valent Ta5+ ion, is responsible for the stabilization of the HTLN-type structure, affording a novel quasitriangular ZnO2N coordination. Interestingly, only 3% Zn substitution for MnTaO2N induces a phase transition from LN- to HTLN-type structure, implying the proximity in energy between the two structural types, which is supported by the first-principles calculations. |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000389962800032 |
Publication Date |
2016-11-18 |
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Series Editor |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0002-7863 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.858 |
Times cited |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: 13.858 |
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Call Number |
UA @ lucian @ c:irua:140298 |
Serial |
4452 |
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Author |
Yagmurcukardes, M.; Peeters, F.M.; Senger, R.T.; Sahin, H. |
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Title |
Nanoribbons: From fundamentals to state-of-the-art applications |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Applied physics reviews |
Abbreviated Journal |
Appl Phys Rev |
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Volume |
3 |
Issue |
3 |
Pages |
041302 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Atomically thin nanoribbons (NRs) have been at the forefront of materials science and nanoelectronics in recent years. State-of-the-art research on nanoscale materials has revealed that electronic, magnetic, phononic, and optical properties may differ dramatically when their one-dimensional forms are synthesized. The present article aims to review the recent advances in synthesis techniques and theoretical studies on NRs. The structure of the review is organized as follows: After a brief introduction to low dimensional materials, we review different experimental techniques for the synthesis of graphene nanoribbons (GNRs) with their advantages and disadvantages. In addition, theoretical investigations on width and edge-shape-dependent electronic and magnetic properties, functionalization effects, and quantum transport properties of GNRs are reviewed. We then devote time to the NRs of the transition metal dichalcogenides (TMDs) family. First, various synthesis techniques, E-field-tunable electronic and magnetic properties, and edge-dependent thermoelectric performance of NRs of MoS2 and WS2 are discussed. Then, strongly anisotropic properties, growth-dependent morphology, and the weakly width-dependent bandgap of ReS2 NRs are summarized. Next we discuss TMDs having a T-phase morphology such as TiSe2 and stable single layer NRs of mono-chalcogenides. Strong edge-type dependence on characteristics of GaS NRs, width-dependent Seebeck coefficient of SnSe NRs, and experimental analysis on the stability of ZnSe NRs are reviewed. We then focus on the most recently emerging NRs belonging to the class of transition metal trichalcogenides which provide ultra-high electron mobility and highly anisotropic quasi-1D properties. In addition, width-, edge-shape-, and functionalization-dependent electronic and mechanical properties of blackphosphorus, a monoatomic anisotropic material, and studies on NRs of group IV elements (silicene, germanene, and stanene) are reviewed. Observation of substrate-independent quantum well states, edge and width dependent properties, the topological phase of silicene NRs are reviewed. In addition, H-2 concentration-dependent transport properties and anisotropic dielectric function of GeNRs and electric field and strain sensitive I-V characteristics of SnNRs are reviewed. We review both experimental and theoretical studies on the NRs of group III-V compounds. While defect and N-termination dependent conductance are highlighted for boron nitride NRs, aluminum nitride NRs are of importance due to their dangling bond, electric field, and strain dependent electronic and magnetic properties. Finally, superlattice structure of NRs of GaN/AlN, Si/Ge, G/BN, and MoS2/WS2 is reviewed. Published by AIP Publishing. |
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Thesis |
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Publisher |
Amer inst physics |
Place of Publication |
Melville |
Editor |
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Language |
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Wos |
000390443800013 |
Publication Date |
2016-11-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1931-9401 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.667 |
Times cited |
63 |
Open Access |
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Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges the support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. R.T.S. acknowledges the support from TUBITAK through Project No. 114F397. F.M.P. was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: 13.667 |
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Call Number |
UA @ lucian @ c:irua:140299 |
Serial |
4457 |
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Author |
Michel, K.H.; Neek-Amal, M.; Peeters, F.M. |
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Title |
Static flexural modes and piezoelectricity in 2D and layered crystals |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
253 |
Issue |
253 |
Pages |
2311-2315 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Piezo- and flexoelectricity are manifestations of electromechanical coupling in solids with potential applications in nanoscale materials. Naumov etal. [Phys. Rev. Lett. 102, 217601 (2009)] have shown by first principles calculations that a monolayer BN sheet becomes macroscopically polarized in-plane when in a corrugated state. Here, we investigate the interplay of layer corrugation and in-plane polarization by atomistic lattice dynamics. We treat the coupling between static flexural modes and in-plane atomic ion displacements as an anharmonic effect, similar to the membrane effect that is at the origin of negative thermal expansion in layered crystals. We have derived analytical expressions for the corrugation-induced static in-plane strains and the optical displacements with the resulting polarization response functions. Beyond h-BN, the theory applies to transition metal dichalcogenides and dioxides. Numerical calculations show that the effects are considerably stronger for 2D h-BN than for 2H-MoS2. |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000390339000002 |
Publication Date |
2016-10-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0370-1972 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
5 |
Open Access |
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Notes |
; The authors acknowledge useful discussions with L. Wirtz, A. Molina-Sanchez, and C. Sevik. This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 1.674 |
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Call Number |
UA @ lucian @ c:irua:140309 |
Serial |
4462 |
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| Permanent link to this record |
